Geometry & MOs

Info

ID:	399654
PubChem CID:	135041533
Reduced:	NSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	253.090292
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	1.18
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-2-methyl-3-phenylisoquinolin-1-one

Drug info:

PubChemData

Smile

C1COCCN1C(=O)SC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations